MMsINC Database Search


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MMsINC code: MMs00485931

Type: Neutral
Formula: C₁₈H₁₅ClF₂N₂O

SMILES:

Clc1cc(F)c(F)cc1C(=O)NCCc1c2c([nH]c1C)cccc2

InChI:

InChI=1/C18H15ClF2N2O/c1-10-11(12-4-2-3-5-17(12)23-10)6-7-22-18(24)13-8-15(20)16(21)9-14(13)19/h2-5,8-9,23H,6-7H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9493 kcal/mol

Physical Properties
Molecular Weight: 348.78 g/mol	logS: -5.28792	SlogP: 4.38039	Reactive groups: 0

Topological Properties
Globularity: 0.0692175	Sterimol/B1: 2.08711	Sterimol/B2: 4.10338	Sterimol/B3: 5.12347
Sterimol/B4: 8.30014	Sterimol/L: 17.2192

Surface and Volume Properties
Accessible surface: 572.82	Positive charged surface: 280.215	Negative charged surface: 287.611	Volume: 306
Hydrophobic surface: 511.343	Hydrophilic surface: 61.477

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.